Chemical Properties of 2-(Decanoyloxy)propane-1,3-diyl dioctanoate (CAS 33368-87-5)

InChI

InChI=1S/C29H54O6/c1-4-7-10-13-14-17-20-23-29(32)35-26(24-33-27(30)21-18-15-11-8-5-2)25-34-28(31)22-19-16-12-9-6-3/h26H,4-25H2,1-3H3

InChI Key

GVUCZFUFLQMFID-UHFFFAOYSA-N

Formula

C29H54O6

SMILES

CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC

Molecular Weight¹

498.74

CAS

33368-87-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1554.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	80.45	kJ/mol	Joback Calculated Property
ΔvapH°	140.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-7.13		Relay (1.0) Calculated Property
logPoct/wat	7.846		Crippen Calculated Property
McVol	441.790	ml/mol	McGowan Calculated Property
Pc	631.61	kPa	Joback Calculated Property
Inp	[3137.50; 3137.50]
Inp	3137.50		NIST
Inp	3137.50		NIST
Tboil	683.81	K	Relay (1.0) Calculated Property
Tc	846.57	K	Relay (1.0) Calculated Property
Tfus	297.48	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[669.38; 1540.33]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.10720e+01
Coefficient B			2.60036e+00
Coefficient C			-1.27320e-03
Coefficient D			1.62100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	669.38	J/mol×K	273.00	Calculated Property
Cp,gas	818.85	J/mol×K	353.78	Calculated Property
Cp,gas	953.95	J/mol×K	434.56	Calculated Property
Cp,gas	1075.19	J/mol×K	515.33	Calculated Property
Cp,gas	1183.08	J/mol×K	596.11	Calculated Property
Cp,gas	1278.15	J/mol×K	676.89	Calculated Property
Cp,gas	1360.89	J/mol×K	757.67	Calculated Property
Cp,gas	1431.83	J/mol×K	838.44	Calculated Property
Cp,gas	1491.47	J/mol×K	919.22	Calculated Property
Cp,gas	1540.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002749; 0.0000095]	Pa×s	[528.58; 909.69]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.62359e+01
Coefficient B			4.24806e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			528.58
Temperature range, max.			909.69
η	0.0002749	Pa×s	528.58	Calculated Property
η	0.0001515	Pa×s	570.93	Calculated Property
η	0.0000906	Pa×s	613.27	Calculated Property
η	0.0000579	Pa×s	655.62	Calculated Property
η	0.0000391	Pa×s	697.96	Calculated Property
η	0.0000276	Pa×s	740.31	Calculated Property
η	0.0000202	Pa×s	782.65	Calculated Property
η	0.0000153	Pa×s	825.00	Calculated Property
η	0.0000119	Pa×s	867.34	Calculated Property
η	0.0000095	Pa×s	909.69	Calculated Property

Similar Compounds

Find more compounds similar to 2-(Decanoyloxy)propane-1,3-diyl dioctanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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